==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 20-NOV-00 1G8R . COMPND 2 MOLECULE: MOLYBDOPTERIN BIOSYNTHESIS MOEA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.XIANG,J.NICHOLS,K.V.RAJAGOPALAN,H.SCHINDELIN . 806 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34312.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 522 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 143 17.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 63 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 3 0 2 2 2 4 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 1 4 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 14 4 4 7 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 5 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 7 A L 0 0 171 0, 0.0 269,-0.2 0, 0.0 270,-0.1 0.000 360.0 360.0 360.0 -53.4 26.8 8.8 62.3 2 8 A M B -a 270 0A 56 267,-1.9 269,-3.1 1,-0.1 2,-0.3 -0.400 360.0-124.3 -69.4 148.8 27.5 11.9 60.0 3 9 A S > - 0 0 31 267,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.723 10.1-122.8-101.0 147.3 27.5 15.2 61.8 4 10 A L H > S+ 0 0 19 -2,-0.3 4,-3.0 267,-0.3 5,-0.2 0.887 113.9 52.5 -46.4 -50.1 25.4 18.3 61.0 5 11 A D H > S+ 0 0 116 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.925 110.5 48.7 -54.1 -48.2 28.5 20.4 60.6 6 12 A T H > S+ 0 0 75 -3,-0.2 4,-3.1 2,-0.2 5,-0.2 0.963 113.6 43.8 -57.1 -58.9 29.9 17.9 58.2 7 13 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.893 113.6 53.0 -55.4 -43.4 26.8 17.6 56.0 8 14 A L H X S+ 0 0 37 -4,-3.0 4,-3.1 -5,-0.3 5,-0.3 0.966 113.2 41.8 -58.2 -54.2 26.4 21.4 56.1 9 15 A N H X S+ 0 0 94 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.908 113.0 53.7 -61.5 -41.3 29.9 22.1 54.9 10 16 A E H X S+ 0 0 86 -4,-3.1 4,-0.7 -5,-0.2 -1,-0.2 0.890 114.4 43.7 -59.9 -37.7 29.7 19.3 52.4 11 17 A M H >X S+ 0 0 0 -4,-2.5 4,-1.1 -5,-0.2 3,-0.9 0.967 115.7 43.1 -72.2 -56.6 26.5 20.9 51.0 12 18 A L H 3< S+ 0 0 43 -4,-3.1 3,-0.5 1,-0.2 -2,-0.2 0.883 107.9 61.4 -59.5 -38.7 27.6 24.6 51.0 13 19 A S H 3< S+ 0 0 86 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.783 105.6 46.8 -60.5 -27.8 31.0 23.7 49.5 14 20 A R H << S+ 0 0 93 -3,-0.9 -1,-0.2 -4,-0.7 2,-0.2 0.734 95.6 91.1 -86.5 -23.7 29.4 22.2 46.4 15 21 A V < - 0 0 6 -4,-1.1 -4,-0.0 -3,-0.5 272,-0.0 -0.487 60.1-153.2 -81.0 142.3 27.0 25.0 45.7 16 22 A T - 0 0 107 -2,-0.2 -3,-0.0 297,-0.0 -2,-0.0 -0.951 26.4-114.6-113.7 124.2 27.7 28.1 43.5 17 23 A P - 0 0 55 0, 0.0 296,-0.2 0, 0.0 297,-0.2 -0.255 34.3-108.5 -58.6 142.1 25.8 31.3 44.2 18 24 A L - 0 0 25 295,-2.8 151,-0.1 294,-0.1 154,-0.0 -0.236 31.7-176.3 -63.5 158.9 23.4 32.4 41.4 19 25 A T + 0 0 116 2,-0.0 -1,-0.1 150,-0.0 295,-0.0 0.422 41.2 117.1-137.6 -9.4 24.5 35.5 39.4 20 26 A A - 0 0 46 150,-0.1 150,-1.5 149,-0.1 2,-0.3 -0.306 49.7-169.5 -58.2 150.8 21.6 36.2 37.1 21 27 A Q E -B 169 0B 108 148,-0.3 2,-0.3 2,-0.0 148,-0.2 -0.951 25.5-167.8-146.9 165.9 20.2 39.6 37.9 22 28 A E E -B 168 0B 71 146,-2.5 146,-3.5 -2,-0.3 2,-0.6 -0.973 25.0-123.6-149.1 153.2 17.4 42.1 37.4 23 29 A T E +B 167 0B 71 -2,-0.3 -2,-0.0 144,-0.3 142,-0.0 -0.906 33.4 175.9-108.5 123.5 17.0 45.7 38.2 24 30 A L E -B 166 0B 19 142,-1.9 142,-1.7 -2,-0.6 2,-0.1 -0.909 36.3 -98.7-128.9 153.2 14.1 46.8 40.4 25 31 A P E > -B 165 0B 48 0, 0.0 3,-2.9 0, 0.0 140,-0.3 -0.435 45.3-108.9 -65.4 140.7 12.8 50.0 42.0 26 32 A L G > S+ 0 0 9 138,-1.8 3,-2.6 1,-0.3 4,-0.2 0.781 115.1 64.9 -38.0 -46.5 13.7 50.2 45.7 27 33 A V G 3 S+ 0 0 48 1,-0.3 3,-0.3 137,-0.2 -1,-0.3 0.698 103.8 48.6 -57.2 -18.5 10.1 49.6 46.9 28 34 A Q G < S+ 0 0 117 -3,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.279 93.2 83.8-102.7 9.7 10.3 46.0 45.4 29 35 A C X + 0 0 0 -3,-2.6 3,-2.1 -4,-0.2 121,-0.3 0.422 48.7 133.1 -97.5 2.9 13.6 45.2 46.9 30 36 A F T 3 S+ 0 0 31 -3,-0.3 121,-0.2 1,-0.3 3,-0.1 -0.341 84.6 3.5 -60.0 124.3 12.8 44.0 50.4 31 37 A G T 3 S+ 0 0 25 119,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.383 102.3 131.8 83.9 -3.1 14.7 40.7 51.2 32 38 A R < - 0 0 29 -3,-2.1 118,-2.8 118,-0.3 2,-0.5 -0.482 58.2-119.3 -84.4 153.1 16.5 40.8 47.9 33 39 A I B -D 149 0C 9 136,-0.4 136,-2.6 116,-0.2 116,-0.2 -0.807 25.6-121.3 -96.7 125.4 20.3 40.4 47.4 34 40 A L B -C 168 0B 0 114,-2.1 113,-2.4 -2,-0.5 134,-0.3 -0.446 16.3-156.7 -63.0 127.9 22.2 43.3 45.8 35 41 A A S S+ 0 0 21 132,-3.1 2,-0.3 111,-0.2 133,-0.2 0.805 73.0 15.6 -78.8 -31.4 23.9 42.1 42.6 36 42 A S S S- 0 0 48 131,-0.7 -1,-0.1 109,-0.1 111,-0.1 -0.934 94.2 -80.0-139.5 163.3 26.7 44.8 42.6 37 43 A D - 0 0 87 -2,-0.3 2,-0.7 109,-0.1 -2,-0.1 -0.243 40.9-128.9 -59.9 147.3 28.2 47.3 45.0 38 44 A V E -E 144 0D 8 106,-2.8 105,-2.8 128,-0.1 106,-0.9 -0.915 25.0-163.3-102.1 116.9 26.2 50.5 45.5 39 45 A V E -E 142 0D 71 -2,-0.7 103,-0.2 103,-0.2 102,-0.1 -0.890 23.0-115.4-104.5 128.9 28.5 53.4 44.9 40 46 A S - 0 0 2 101,-2.3 100,-2.7 -2,-0.5 101,-0.2 -0.407 17.1-159.5 -65.9 126.9 27.4 56.8 46.2 41 47 A P S S+ 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.645 73.4 25.5 -79.7 -15.3 26.9 59.3 43.4 42 48 A L S S- 0 0 59 96,-0.1 2,-0.2 97,-0.0 98,-0.1 -0.863 85.4 -92.7-141.0 175.4 27.3 62.3 45.7 43 49 A D - 0 0 39 -2,-0.3 3,-0.3 95,-0.2 95,-0.2 -0.616 34.3-134.5 -88.5 151.1 28.7 63.5 49.0 44 50 A V B S+F 137 0E 40 93,-2.9 93,-3.2 1,-0.5 92,-0.6 -0.893 99.5 22.9-148.5 107.4 26.7 63.4 52.2 45 51 A P S S- 0 0 23 0, 0.0 89,-2.7 0, 0.0 -1,-0.5 0.678 86.9-154.7 -73.6 154.9 26.9 66.0 53.8 46 52 A G S S+ 0 0 25 -3,-0.3 2,-0.3 87,-0.2 87,-0.1 0.497 73.0 18.7 -79.3 -2.6 27.8 68.0 50.7 47 53 A F S S- 0 0 107 84,-0.1 -1,-0.1 85,-0.1 87,-0.1 -0.987 93.7 -81.1-162.6 156.2 29.6 70.6 52.8 48 54 A D + 0 0 49 -2,-0.3 50,-1.2 84,-0.1 2,-0.3 -0.399 58.5 171.6 -62.0 135.9 31.2 71.2 56.2 49 55 A N E -GH 97 131F 14 82,-2.0 82,-3.2 48,-0.3 2,-0.3 -0.912 34.0 -74.4-144.9 170.3 28.5 72.1 58.7 50 56 A S E - H 0 130F 0 46,-2.4 45,-2.0 43,-0.3 80,-0.2 -0.517 21.2-162.5 -75.8 125.4 27.7 72.7 62.5 51 57 A A S S+ 0 0 20 78,-2.1 2,-0.3 -2,-0.3 -1,-0.1 0.822 81.8 13.8 -71.8 -34.9 27.6 69.8 65.0 52 58 A M S S- 0 0 59 77,-0.4 2,-0.5 3,-0.0 43,-0.1 -0.851 86.6-103.0-133.1 168.4 25.7 71.9 67.6 53 59 A D S S+ 0 0 58 -2,-0.3 55,-0.8 40,-0.2 40,-0.3 -0.830 80.2 81.8 -94.7 134.3 23.9 75.2 67.5 54 60 A G E S-IJ 92 107G 0 38,-3.1 38,-2.3 -2,-0.5 2,-0.4 -0.707 81.7 -19.3 174.1-115.4 26.0 77.9 69.1 55 61 A Y E -IJ 91 106G 18 51,-3.0 51,-3.0 36,-0.2 2,-0.4 -0.981 38.5-144.0-136.4 134.8 28.8 80.0 67.6 56 62 A A E +IJ 90 105G 0 34,-3.5 34,-2.1 -2,-0.4 2,-0.3 -0.760 36.9 171.2 -88.2 130.2 31.2 79.7 64.7 57 63 A V E - J 0 104G 0 47,-2.9 46,-1.9 -2,-0.4 47,-1.5 -0.869 37.1-124.2-139.2 172.3 34.7 81.1 65.5 58 64 A R > - 0 0 38 -2,-0.3 4,-0.7 30,-0.3 3,-0.3 -0.983 30.1-127.3-117.5 122.8 38.3 81.5 64.5 59 65 A L T 4 S+ 0 0 47 -2,-0.5 3,-0.2 1,-0.2 4,-0.2 0.680 104.5 69.4 -44.2 -19.0 40.9 80.2 66.9 60 66 A A T >4 S+ 0 0 67 1,-0.2 3,-2.9 2,-0.2 4,-0.3 1.000 95.9 43.3 -64.1 -72.6 42.4 83.7 66.7 61 67 A D T 34 S+ 0 0 11 -3,-0.3 5,-0.4 1,-0.3 3,-0.3 0.501 99.5 74.7 -55.7 -4.8 39.9 85.9 68.4 62 68 A I T 3< S+ 0 0 27 -4,-0.7 3,-0.5 -3,-0.2 -1,-0.3 0.627 88.3 61.4 -82.3 -12.6 39.5 83.2 71.2 63 69 A A S < S+ 0 0 89 -3,-2.9 -1,-0.2 -4,-0.2 -2,-0.2 0.634 84.3 76.8 -83.6 -18.8 42.9 84.5 72.4 64 70 A S S S- 0 0 63 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.743 84.5-153.7 -62.6 -23.5 41.4 87.9 73.0 65 71 A G + 0 0 76 -3,-0.5 -1,-0.1 1,-0.2 -3,-0.1 0.743 62.5 108.2 52.9 20.0 39.9 86.4 76.1 66 72 A Q S S- 0 0 108 -5,-0.4 -1,-0.2 1,-0.1 -2,-0.2 -0.908 83.1 -73.1-128.4 153.2 37.4 89.1 75.5 67 73 A P - 0 0 47 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 -0.072 39.4-149.8 -45.7 134.6 33.8 89.2 74.2 68 74 A L B -L 118 0H 0 50,-1.9 50,-3.8 20,-0.0 2,-0.3 -0.949 12.8-139.4-111.2 125.7 33.2 88.5 70.5 69 75 A P - 0 0 63 0, 0.0 20,-1.4 0, 0.0 2,-0.6 -0.685 24.3-106.3 -87.9 138.8 30.2 90.2 68.9 70 76 A V E -k 89 0G 79 -2,-0.3 20,-0.2 18,-0.2 3,-0.1 -0.474 32.1-177.5 -66.7 110.8 28.0 88.3 66.4 71 77 A A E - 0 0 37 18,-1.2 2,-0.2 -2,-0.6 -1,-0.2 0.837 65.5 -34.9 -76.7 -33.4 28.7 89.7 62.9 72 78 A G E - 0 0 20 17,-0.5 19,-1.8 10,-0.1 2,-0.3 -0.710 61.4-109.0-158.7-150.5 26.1 87.4 61.3 73 79 A K E -k 91 0G 80 17,-0.2 2,-0.4 -2,-0.2 19,-0.2 -0.985 7.2-158.7-164.0 153.1 24.3 84.0 61.3 74 80 A S E +k 92 0G 0 17,-2.2 19,-2.1 -2,-0.3 22,-0.2 -0.985 21.9 168.5-139.6 125.0 23.9 80.7 59.5 75 81 A F B > -M 78 0I 69 3,-1.3 3,-0.7 -2,-0.4 5,-0.0 -0.451 52.4 -44.4-120.5-166.8 21.0 78.3 59.8 76 82 A A T 3 S- 0 0 70 1,-0.3 -2,-0.0 20,-0.2 16,-0.0 0.794 130.2 -12.8 -23.5 -77.3 19.4 75.2 58.3 77 83 A G T 3 S+ 0 0 61 19,-0.1 -1,-0.3 1,-0.1 19,-0.1 -0.005 117.0 92.6-125.8 28.7 19.7 76.3 54.6 78 84 A Q B < -M 75 0I 93 -3,-0.7 -3,-1.3 2,-0.0 -1,-0.1 -0.664 60.3-167.8-124.1 76.0 20.6 79.9 55.0 79 85 A P - 0 0 53 0, 0.0 2,-0.8 0, 0.0 -6,-0.1 0.084 29.3-108.8 -53.9 169.6 24.4 80.1 55.0 80 86 A Y + 0 0 45 17,-0.4 2,-0.6 18,-0.1 20,-0.4 -0.866 39.1 174.0-108.0 97.0 26.3 83.3 56.0 81 87 A H + 0 0 169 -2,-0.8 2,-0.3 18,-0.1 -1,-0.1 -0.408 44.9 95.9 -98.8 54.9 27.8 84.6 52.7 82 88 A G S S- 0 0 41 -2,-0.6 18,-0.1 1,-0.1 -2,-0.1 -0.853 80.7 -62.1-139.1 175.0 29.1 87.8 54.1 83 89 A E - 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